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1449747-00-5

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1449747-00-5 Structure

1449747-00-5 Structure
IdentificationBack Directory
[Name]

1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile
[CAS]

1449747-00-5
[Synonyms]

CYM-5520
1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile
1-[2-[2,5-Dimethyl-1-(phenylmethyl)-1H-pyrrol-3-yl]-2-oxoethyl]-1,6-dihydro-6-oxo-3-pyridinecarbonitrile
3-Pyridinecarbonitrile, 1-[2-[2,5-dimethyl-1-(phenylmethyl)-1H-pyrrol-3-yl]-2-oxoethyl]-1,6-dihydro-6-oxo-
[Molecular Formula]

C21H19N3O2
[MDL Number]

MFCD28100815
[MOL File]

1449747-00-5.mol
[Molecular Weight]

345.39
Chemical PropertiesBack Directory
[Boiling point ]

580.5±50.0 °C(Predicted)
[density ]

1.16±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble20mg/mL, clear
[form ]

powder
[pka]

-2.80±0.70(Predicted)
[color ]

white to beige
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25-41
[Safety Statements ]

26-39-45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
Hazard InformationBack Directory
[Description]

Sphingosine-1-phosphate (S1P; ) is an extracellular lipid mediator whose major effects are mediated through five distinct G protein-coupled receptors, S1P1/EDG-1, S1P2/EDG-5, S1P3/EDG-3, S1P4/EDG-6, and S1P5/EDG-8. S1P2 has been implicated in multiple biological functions, including Rho activation, inhibition of Rac and cell migration, and in “feed forward” autocrine signaling in NF-κB survival signaling of tumor cells. CYM 5520 is a noncompetitive allosteric agonist of S1P2 (EC50 = 0.48 μM) that does not display agonist activity towards S1P1, S1P3, S1P4, or S1P5.
[Uses]

CYM-5520 has been used as a sphingosine 1-phosphate receptor 2 (S1pr2) agonist in pancreatic adenocarcinoma?cell?line (CFPAC-1).
[Biochem/physiol Actions]

CYM-5520 is a specific, noncompetitive allosteric agonist of sphingosine 1-phosphate receptor 2 (S1PR2; EC50 = 1.0 μM). The compound CYM-5520 does not show any agonsit activity towards S1PR1, S1PR3, S1PR4 or S1PR5.
[storage]

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile(1449747-00-5)1HNMR
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